SCHEMBL21333028

SCHEMBL21333028

Cc1c(C(=O)Cn2cc(Br)ccc2=O)nnn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.47
S1PR2 O95136 1/20 0.45
PFKFB3 Q16875 1/20 0.43
HPGD P15428 3/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KLKB1 P03952 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21333094 0.84 S1PR2 (0.43) CYP19A1S1PR2PFKFB3HPGDSMN1; SMN2
SCHEMBL21332981 0.84 S1PR2 (0.43) CYP19A1S1PR2PFKFB3HPGDPTGDR2
SCHEMBL21332810 0.82 S1PR2 (0.41) CYP19A1S1PR2PFKFB3HPGDPTGDR2
SCHEMBL21333303 0.80 POLB (0.57) S1PR2HPGDPTGDR2SMN1; SMN2MAPK1
SCHEMBL21332946 0.80 S1PR2 (0.47) S1PR2PFKFB3PTGDR2SMN1; SMN2MAPK1
SCHEMBL21333477 0.80 S1PR2 (0.49) S1PR2PTGDR2SMN1; SMN2CYP1A2MAPK1
SCHEMBL21333177 0.78 PTGER1 (0.48) S1PR2PTGDR2CYP1A2MEN1KMT2A
SCHEMBL21332831 0.77 HPGD (0.54) CYP19A1PFKFB3HPGDSMN1; SMN2CYP1A2
SCHEMBL21333146 0.77 S1PR2 (0.72) S1PR2SMN1; SMN2KLKB1TSHRMEN1
SCHEMBL21333289 0.76 S1PR2 (0.43) S1PR2PFKFB3PTGDR2SMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762377-B1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF UNIV CORNELL (US) 2025-08-20 EP disclosed
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof CORNELL UNIVERSITY (US) 2024-04-23 US disclosed
EP-3762377-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF Cook, Timothy, H. (US) 2021-01-13 EP disclosed
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 US disclosed
WO-2019173790-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF HLA TIMOTHY (US) 2019-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 CYP19A1 398/4885S1PR2 601/4885PFKFB3 3571/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 CYP19A1 398/4885S1PR2 601/4885PFKFB3 3571/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.